Cas no 923586-13-4 (Isoquinoline, 5-bromo-6-methoxy-, 2-oxide)
923586-13-4 structure
Product Name:Isoquinoline, 5-bromo-6-methoxy-, 2-oxide
CAS No:923586-13-4
MF:C10H8BrNO2
MW:254.080021858215
CID:736625
PubChem ID:68878025
Update Time:2025-04-19
Isoquinoline, 5-bromo-6-methoxy-, 2-oxide Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 5-bromo-6-methoxy-, 2-oxide
- 5-bromo-6-methoxy-2-oxidoisoquinolin-2-ium
- 5-Bromo-6-methoxy-2-oxo-2lambda~5~-isoquinoline
- DTXSID90739190
- SCHEMBL16473242
- 923586-13-4
-
- Inchi： 1S/C10H8BrNO2/c1-14-9-3-2-7-6-12(13)5-4-8(7)10(9)11/h2-6H,1H3
- InChI Key： HTSCTMHKMHIZIB-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC2C=[N+](C=CC=21)[O-])OC
Computed Properties
- Exact Mass: 252.97384g/mol
- Monoisotopic Mass: 252.97384g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 34.7?2
Isoquinoline, 5-bromo-6-methoxy-, 2-oxide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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